8W49

mouse isocitrate dehydrogenase with isocitrate and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	98.627, 93.448, 111.275
Unit cell angles	90.00, 113.90, 90.00

Refinement procedure

Resolution	33.900 - 1.770
R-factor	0.1699
Rwork	0.170
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900	1.800
High resolution limit [Å]	1.770	1.770
Number of reflections	180017	8502
<I/σ(I)>	26
Completeness [%]	99.4
Redundancy	5.5
CC(1/2)	0.992	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	PEG 4000, sodium citrate, magnesium chloride, isocitrate